(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C10H19NO — CID 82838628

IUPAC(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C/C1CCC(C)O1)CN
InChIInChI=1S/C10H19NO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-
InChIKeyMMLGTHGJWICAGF-TWGQIWQCSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 82838628) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID82838628
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C/C1CCC(C)O1)CN
InChIInChI=1S/C10H19NO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-
InChIKeyMMLGTHGJWICAGF-TWGQIWQCSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 82838628) is (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is CC/C(=C/C1CCC(C)O1)CN.
What is the InChIKey of (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is MMLGTHGJWICAGF-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-.
What are the key properties of (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 82838628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).